PBD150

Ligand id: 8356

Name: PBD150

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 92.43
Molecular weight 320.13
XLogP 1.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)thiourea
Synonyms
compound 53 [PMID 16420052]
Database Links
CAS Registry No. 790663-33-1 (source: Scifinder)
ChEMBL Ligand CHEMBL201747
PubChem CID 6539196
RCSB PDB Ligand PBD
Search Google for chemical match using the InChIKey FZQXMGLQANXZRP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FZQXMGLQANXZRP
Search UniChem for chemical match using the InChIKey FZQXMGLQANXZRP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FZQXMGLQANXZRP
SynPHARM 82033 (in complex with glutaminyl-peptide cyclotransferase)
Comments
PBD150 is a potent inhibitor of glutaminyl cyclase (QC), an enzyme which can modify the N-terminal glutamate residue of amyloid beta (Aβ) proteins to generate pyroglutamate-Aβ [2].